| CAS Number | 722491-58-9 |
| Catalog Number | AG00FXWF(AGN-PC-0WCR31) |
| Chemical Name | 1-(2,4,5-Trimethylphenyl)piperazine |
| IUPAC Name | 1-(2,4,5-trimethylphenyl)piperazine |
| InChI | InChI=1S/C13H20N2/c1-10-8-12(3)13(9-11(10)2)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3 |
| InChI Key | LOZKWCQVZPMMTK-UHFFFAOYSA-N |
| MDL Number | MFCD28369479 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | C=1C(=C(C=C(C1C)C)C)N2CCNCC2 |
| Synonyms | 1-(2,4,5-trimethylphenyl)piperazine,
722491-58-9,
AC1MC3K2,
Oprea1_727492,
SCHEMBL2366486,
CTK6B4678,
LOZKWCQVZPMMTK-UHFFFAOYSA-N,
MFCD03444408,
ZINC15021030,
AKOS003587746,
1-(2,4,5-TRIMETHYL-PHENYL)-PIPERAZINE,
CID2760821,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number